title: [Computational study on drug design and prediction of bioactivity for regulation of non-controlled psychotropic substances].
abstract: We demonstrated design and synthesis of rescue ligands for agonists of the mutant vitamin D receptor (Arg274Leu), and performed QSAR study of non-controlled psychotropic substances and docking study of non-approved or unauthorized pharmaceuticals, inhibitors of human phosphodiesterase 5 (PDE5) using computer simulation.
authors.affiliation: masaaki@nihs.go.jp
authors.forename: Masaaki
authors.initials: M
authors.lastname: Kurihara
mesh_terms: D003198:Computer Simulation; D015195:Drug Design; D005544:Forecasting; D013287:Illicit Drugs; D008024:Ligands; D009154:Mutation; D058986:Phosphodiesterase 5 Inhibitors; D011619:Psychotropic Drugs; D021281:Quantitative Structure-Activity Relationship; D018167:Receptors, Calcitriol / Q000819:agonists / Q000235:genetics
chemical_list: D013287:Illicit Drugs; D008024:Ligands; D058986:Phosphodiesterase 5 Inhibitors; D011619:Psychotropic Drugs; D018167:Receptors, Calcitriol